
 Kephalis

 40 40  0  0  0  0  0  0  0  0999 V2000
    8.5108    0.1820    1.2244 C   0  0  0  0  0
    7.0033    0.1487    1.0531 C   0  0  0  0  0
    6.5939    1.4068    0.5204 O   0  0  0  0  0
    5.2523    1.6497    0.3396 C   0  0  0  0  0
    4.2658    0.7757    0.6086 C   0  0  0  0  0
    4.9390    3.0465   -0.2155 C   0  0  0  0  0
    5.3311    3.2231   -1.7407 C   0  0  0  0  0
    4.9267    4.6294   -2.2305 C   0  0  0  0  0
    5.3967    5.7047   -1.2864 C   0  0  0  0  0
    6.0450    6.6749   -1.6747 O   0  0  0  0  0
    4.9173    5.5822    0.1363 C   0  0  0  0  0
    5.3351    4.2333    0.7591 C   0  0  0  0  0
    4.5482    4.0862    2.0880 C   0  0  0  0  0
    6.8266    4.3147    1.1457 C   0  0  0  0  0
    6.8200    2.9928   -2.0704 C   0  0  0  0  0
    4.5325    2.2045   -2.5975 C   0  0  0  0  0
    8.8798   -0.7693    1.6180 H   0  0  0  0  0
    8.8014    0.9843    1.9110 H   0  0  0  0  0
    9.0045    0.3865    0.2687 H   0  0  0  0  0
    6.5366   -0.0226    2.0298 H   0  0  0  0  0
    6.7321   -0.6563    0.3610 H   0  0  0  0  0
    4.4444   -0.2199    0.9954 H   0  0  0  0  0
    3.2252    1.0345    0.4385 H   0  0  0  0  0
    3.8369    3.1096   -0.2372 H   0  0  0  0  0
    5.3303    4.8332   -3.2296 H   0  0  0  0  0
    3.8356    4.7231   -2.3026 H   0  0  0  0  0
    5.3093    6.4265    0.7163 H   0  0  0  0  0
    3.8254    5.6882    0.1181 H   0  0  0  0  0
    3.4692    4.0228    1.9072 H   0  0  0  0  0
    4.7197    4.9470    2.7451 H   0  0  0  0  0
    4.8499    3.1901    2.6408 H   0  0  0  0  0
    7.4820    4.4554    0.2874 H   0  0  0  0  0
    7.1626    3.4332    1.6980 H   0  0  0  0  0
    7.0045    5.1710    1.8089 H   0  0  0  0  0
    7.4792    3.7082   -1.5807 H   0  0  0  0  0
    6.9959    3.1047   -3.1480 H   0  0  0  0  0
    7.1503    1.9830   -1.8118 H   0  0  0  0  0
    3.4555    2.2850   -2.4111 H   0  0  0  0  0
    4.8347    1.1727   -2.3890 H   0  0  0  0  0
    4.6924    2.3790   -3.6682 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6 12  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  7 15  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
M  END

>  <Chemical Name>
Kephalis

>  <PubChem CID>
118292

>  <Formula>
C14H24O2

>  <Molecular Weight>
224.344000

>  <IUPAC Name>
4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCOC(=C)C1C(CC(=O)CC1(C)C)(C)C

>  <Isomeric SMILES>
CCOC(=C)C1C(CC(=O)CC1(C)C)(C)C

>  <InChI Std. ID>
InChI=1S/C14H24O2/c1-7-16-10(2)12-13(3,4)8-11(15)9-14(12,5)6/h12H,2,7-9H2,1,3-6H3

>  <InChI Key>
YLNYLLVKHRZLGO-UHFFFAOYSA-N

